(2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one

C22H18O6 — CID 38360850

IUPAC(2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1C[C@H](c2ccccc2)Oc2cc(O)c(Cc3cccc(O)c3O)c(O)c21
InChIInChI=1S/C22H18O6/c23-15-8-4-7-13(21(15)26)9-14-16(24)10-19-20(22(14)27)17(25)11-18(28-19)12-5-2-1-3-6-12/h1-8,10,18,23-24,26-27H,9,11H2/t18-/m1/s1
InChIKeyFMCBIXROZWHXRU-GOSISDBHSA-N
MW378.38 g/mol
LogP3.81
Rot. Bonds3

About (2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one

(2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 38360850) has the molecular formula C22H18O6 and a molecular weight of 378.38 g/mol. Its IUPAC name is (2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID38360850
Molecular FormulaC22H18O6
Molecular Weight378.38 g/mol
Exact Mass378.11
IUPAC Name(2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one
SMILESO=C1C[C@H](c2ccccc2)Oc2cc(O)c(Cc3cccc(O)c3O)c(O)c21
InChIInChI=1S/C22H18O6/c23-15-8-4-7-13(21(15)26)9-14-16(24)10-19-20(22(14)27)17(25)11-18(28-19)12-5-2-1-3-6-12/h1-8,10,18,23-24,26-27H,9,11H2/t18-/m1/s1
InChIKeyFMCBIXROZWHXRU-GOSISDBHSA-N
XLogP3.81
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one (CID 38360850) is (2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one is O=C1C[C@H](c2ccccc2)Oc2cc(O)c(Cc3cccc(O)c3O)c(O)c21.
What is the InChIKey of (2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is FMCBIXROZWHXRU-GOSISDBHSA-N. The full InChI is InChI=1S/C22H18O6/c23-15-8-4-7-13(21(15)26)9-14-16(24)10-19-20(22(14)27)17(25)11-18(28-19)12-5-2-1-3-6-12/h1-8,10,18,23-24,26-27H,9,11H2/t18-/m1/s1.
What are the key properties of (2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one?
(2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 378.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[(2,3-dihydroxyphenyl)methyl]-5,7-dihydroxy-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 38360850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).